Information card for entry 4343471

Structure parameters

• Formula: C45 H40 Ag Cl2 F11 O2 P4 Pd
• Calculated formula: C45 H40 Ag Cl2 F11 O2 P4 Pd
• SMILES: [Pd]12([Ag]3([P](c4c1c(F)c(F)c(F)c4F)(c1ccccc1)c1ccccc1)([P](c1c2c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)[O]=C(O3)C(F)(F)F)([P](C)(C)C)[P](C)(C)C.ClCCl
• Title of publication: Metallophilic Contacts in 2-C6F4PPh2 Bridged Heterobinuclear Complexes: A Crystallographic and Computational Study.
• Authors of publication: Wächtler, Erik; Privér, Steven H; Wagler, Jörg; Heine, Thomas; Zhechkov, Lyuben; Bennett, Martin A.; Bhargava, Suresh K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6947 - 6957
• a: 10.8499 ± 0.0006 Å
• b: 16.4121 ± 0.001 Å
• c: 13.7809 ± 0.0008 Å
• α: 90°
• β: 102.278 ± 0.001°
• γ: 90°
• Cell volume: 2397.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No